9-ethyl-10-ethylsulfanyl-7-(4-methylphenyl)-1-(pyrrolidin-1-ylmethyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one

Systemtic Name: 9-ethyl-10-ethylsulfanyl-7-(4-methylphenyl)-1-(pyrrolidin-1-ylmethyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Openeye Name: 9-ethyl-10-ethylsulfanyl-7-(p-tolyl)-1-(pyrrolidin-1-ylmethyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one CAS Name: 9-ethyl-10-(ethylthio)-7-(4-methylphenyl)-1-(1-pyrrolidinylmethyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one IUPAC Name: 9-ethyl-10-ethylsulfanyl-7-(4-methylphenyl)-1-(pyrrolidin-1-ylmethyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Traditional Name: 9-ethyl-10-(ethylthio)-7-(p-tolyl)-1-(pyrrolidinomethyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one Formula: C28H32N4OS MolecularWeight: 472.64488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=NCC3=NC(=O)C=C(N32)CN4CCCC4)C5=CC=C(C=C5)C)SCC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=NCC3=NC(=O)C=C(N32)CN4CCCC4)C5=CC=C(C=C5)C)SCC

InChI

InChI=1S/C28H32N4OS/c1-4-20-14-23-24(16-25(20)34-5-2)32-22(18-31-12-6-7-13-31)15-27(33)30-26(32)17-29-28(23)21-10-8-19(3)9-11-21/h8-11,14-16H,4-7,12-13,17-18H2,1-3H3