phenyl 2-[2-azanyl-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: phenyl 2-[2-azanyl-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: phenyl 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxo-butanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-1,4-dioxobutyl]-4H-quinazolin-3-yl]acetic acid phenyl ester IUPAC Name: phenyl 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-keto-butanoyl]-4H-quinazolin-3-yl]acetic acid phenyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CCC(=O)C2=CC3=C(C=C2)N=C(N(C3)CC(=O)OC4=CC=CC=C4)N

Isomeric SMILES

CN(C1CCCCC1)C(=O)CCC(=O)C2=CC3=C(C=C2)N=C(N(C3)CC(=O)OC4=CC=CC=C4)N

InChI

InChI=1S/C27H32N4O4/c1-30(21-8-4-2-5-9-21)25(33)15-14-24(32)19-12-13-23-20(16-19)17-31(27(28)29-23)18-26(34)35-22-10-6-3-7-11-22/h3,6-7,10-13,16,21H,2,4-5,8-9,14-15,17-18H2,1H3,(H2,28,29)