2-methylsulfanyl-6-(4-nitrophenyl)-3,4a,7,8,9,9a-hexahydropyrimido[4,5-b][1,4]diazepin-4-one

Systemtic Name: 2-methylsulfanyl-6-(4-nitrophenyl)-3,4a,7,8,9,9a-hexahydropyrimido[4,5-b][1,4]diazepin-4-one Openeye Name: 2-methylsulfanyl-6-(4-nitrophenyl)-3,4a,7,8,9,9a-hexahydropyrimido[4,5-b][1,4]diazepin-4-one CAS Name: 2-(methylthio)-6-(4-nitrophenyl)-3,4a,7,8,9,9a-hexahydropyrimido[4,5-b][1,4]diazepin-4-one IUPAC Name: 2-methylsulfanyl-6-(4-nitrophenyl)-3,4a,7,8,9,9a-hexahydropyrimido[4,5-b][1,4]diazepin-4-one Traditional Name: 2-(methylthio)-6-(4-nitrophenyl)-3,4a,7,8,9,9a-hexahydropyrimido[4,5-b][1,4]diazepin-4-one Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2C(C(=O)N1)N=C(CCN2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2C(C(=O)N1)N=C(CCN2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O3S/c1-23-14-17-12-11(13(20)18-14)16-10(6-7-15-12)8-2-4-9(5-3-8)19(21)22/h2-5,11-12,15H,6-7H2,1H3,(H,17,18,20)