9-(2,2-dimethylpropyl)-2-methylsulfanyl-7,8-dihydro-6H-pyrimido[4,5-e][1,4]diazepin-5-one

Systemtic Name: 9-(2,2-dimethylpropyl)-2-methylsulfanyl-7,8-dihydro-6H-pyrimido[4,5-e][1,4]diazepin-5-one Openeye Name: 9-(2,2-dimethylpropyl)-2-methylsulfanyl-7,8-dihydro-6H-pyrimido[4,5-e][1,4]diazepin-5-one CAS Name: 9-(2,2-dimethylpropyl)-2-(methylthio)-7,8-dihydro-6H-pyrimido[4,5-e][1,4]diazepin-5-one IUPAC Name: 9-(2,2-dimethylpropyl)-2-methylsulfanyl-7,8-dihydro-6H-pyrimido[4,5-e][1,4]diazepin-5-one Traditional Name: 2-(methylthio)-9-neopentyl-7,8-dihydro-6H-pyrimido[4,5-e][1,4]diazepin-5-one Formula: C13H20N4OS MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCNC(=O)C2=CN=C(N=C21)SC

Isomeric SMILES

CC(C)(C)CN1CCNC(=O)C2=CN=C(N=C21)SC

InChI

InChI=1S/C13H20N4OS/c1-13(2,3)8-17-6-5-14-11(18)9-7-15-12(19-4)16-10(9)17/h7H,5-6,8H2,1-4H3,(H,14,18)