Chemical Components in the PDB

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7ME : Summary

Code

7ME

One-letter code

X

Molecule name

(7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

Systematic names

ProgramVersionName
ACDLabs 12.01 (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
OpenEye OEToolkits 1.7.0 (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

Formula

C9 H14 N4

Formal charge

0

Molecular weight

178.234 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1c2c(c(nc1N)N)CCC(C2)C
SMILES CACTVS 3.370 C[CH]1CCc2c(N)nc(N)nc2C1
SMILES OpenEye OEToolkits 1.7.0 CC1CCc2c(nc(nc2N)N)C1
Canonical SMILES CACTVS 3.370 C[C@H]1CCc2c(N)nc(N)nc2C1
Canonical SMILES OpenEye OEToolkits 1.7.0 C[C@H]1CCc2c(nc(nc2N)N)C1

IUPAC InChI

InChI=1S/C9H14N4/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3,(H4,10,11,12,13)/t5-/m0/s1

IUPAC InChI key

GXOHKQZNOVLQOK-YFKPBYRVSA-N
7ME

wwPDB Information

Atom count

27 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-04-07

Last modified at

2012-01-13

Status

Released

Obsoleted

Not Assigned