7-(1-azanyl-2-ethyl-butyl)-2-chloranyl-6-(phenylmethyl)pyrimido[4,5-d]pyrimidin-5-one

Systemtic Name: 7-(1-azanyl-2-ethyl-butyl)-2-chloranyl-6-(phenylmethyl)pyrimido[4,5-d]pyrimidin-5-one Openeye Name: 7-(1-amino-2-ethyl-butyl)-6-benzyl-2-chloro-pyrimido[4,5-d]pyrimidin-5-one CAS Name: 7-(1-amino-2-ethylbutyl)-2-chloro-6-(phenylmethyl)-5-pyrimido[4,5-d]pyrimidinone IUPAC Name: 7-(1-amino-2-ethylbutyl)-6-benzyl-2-chloropyrimido[4,5-d]pyrimidin-5-one Traditional Name: 7-(1-amino-2-ethyl-butyl)-6-benzyl-2-chloro-pyrimido[4,5-d]pyrimidin-5-one Formula: C19H22ClN5O MolecularWeight: 371.86388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=NC2=NC(=NC=C2C(=O)N1CC3=CC=CC=C3)Cl)N

Isomeric SMILES

CCC(CC)C(C1=NC2=NC(=NC=C2C(=O)N1CC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C19H22ClN5O/c1-3-13(4-2)15(21)17-23-16-14(10-22-19(20)24-16)18(26)25(17)11-12-8-6-5-7-9-12/h5-10,13,15H,3-4,11,21H2,1-2H3