5-azanyl-3-cyclohexyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one

Systemtic Name: 5-azanyl-3-cyclohexyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Openeye Name: 5-amino-3-cyclohexyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one CAS Name: 5-amino-3-cyclohexyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one IUPAC Name: 5-amino-3-cyclohexyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Traditional Name: 5-amino-3-cyclohexyl-11H-pyrimido[4,5-b][1,5]benzodiazepin-2-one Formula: C17H19N5O MolecularWeight: 309.36566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C3C(=NC4=CC=CC=C4NC3=NC2=O)N

Isomeric SMILES

C1CCC(CC1)N2C=C3C(=NC4=CC=CC=C4NC3=NC2=O)N

InChI

InChI=1S/C17H19N5O/c18-15-12-10-22(11-6-2-1-3-7-11)17(23)21-16(12)20-14-9-5-4-8-13(14)19-15/h4-5,8-11H,1-3,6-7H2,(H2,18,19)(H,20,21,23)