N'-ethyl-N'-[(2Z)-2-[[(4-fluoranyl-3-methyl-phenyl)methylamino]-oxidanyl-methylidene]-8-methyl-3,4-bis(oxidanylidene)-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N-dimethyl-ethanediamide

Systemtic Name: N'-ethyl-N'-[(2Z)-2-[[(4-fluoranyl-3-methyl-phenyl)methylamino]-oxidanyl-methylidene]-8-methyl-3,4-bis(oxidanylidene)-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N-dimethyl-ethanediamide Openeye Name: N'-ethyl-N'-[(2Z)-2-[[(4-fluoro-3-methyl-phenyl)methylamino]-hydroxy-methylene]-8-methyl-3,4-dioxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N-dimethyl-oxamide CAS Name: N'-ethyl-N'-[(2Z)-2-[[(4-fluoro-3-methylphenyl)methylamino]-hydroxymethylidene]-8-methyl-3,4-dioxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N-dimethyloxamide IUPAC Name: N'-ethyl-N'-[(2Z)-2-[[(4-fluoro-3-methylphenyl)methylamino]-hydroxymethylidene]-8-methyl-3,4-dioxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N-dimethyloxamide Traditional Name: N'-ethyl-N'-[(2Z)-2-[[(4-fluoro-3-methyl-benzyl)amino]-hydroxy-methylene]-3,4-diketo-8-methyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N-dimethyl-oxamide Formula: C24H31FN6O5 MolecularWeight: 502.538543

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CN(CCN2C1=NC(=C(NCC3=CC(=C(C=C3)F)C)O)C(=O)C2=O)C)C(=O)C(=O)N(C)C

Isomeric SMILES

CCN(C1CN(CCN2C1=N/C(=C(/NCC3=CC(=C(C=C3)F)C)\O)/C(=O)C2=O)C)C(=O)C(=O)N(C)C

InChI

InChI=1S/C24H31FN6O5/c1-6-30(24(36)23(35)28(3)4)17-13-29(5)9-10-31-20(17)27-18(19(32)22(31)34)21(33)26-12-15-7-8-16(25)14(2)11-15/h7-8,11,17,26,33H,6,9-10,12-13H2,1-5H3/b21-18-