Chemical Components in the PDB

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6ZM : Summary

Code

6ZM

One-letter code

X

Molecule name

1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one

Systematic names

ProgramVersionName
ACDLabs 12.01 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one
OpenEye OEToolkits 2.0.5 1-[2-(2,3-dihydro-1~{H}-inden-2-ylamino)-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl]ethanone

Formula

C18 H20 N4 O

Formal charge

0

Molecular weight

308.378 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1N(C(=O)C)CCc4c1cnc(NC2Cc3c(C2)cccc3)n4
SMILES CACTVS 3.385 CC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
SMILES OpenEye OEToolkits 2.0.5 CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1
Canonical SMILES CACTVS 3.385 CC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
Canonical SMILES OpenEye OEToolkits 2.0.5 CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1

IUPAC InChI

InChI=1S/C18H20N4O/c1-12(23)22-7-6-17-15(11-22)10-19-18(21-17)20-16-8-13-4-2-3-5-14(13)9-16/h2-5,10,16H,6-9,11H2,1H3,(H,19,20,21)

IUPAC InChI key

YZUQRESBRMOGBQ-UHFFFAOYSA-N
6ZM

wwPDB Information

Atom count

43 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-08-01

Last modified at

2016-08-05

Status

Released

Obsoleted

Not Assigned