methyl (3E)-4-oxidanylidene-3-[4-[[(3S)-pyrrolidin-3-yl]amino]-1H-quinazolin-2-ylidene]cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: methyl (3E)-4-oxidanylidene-3-[4-[[(3S)-pyrrolidin-3-yl]amino]-1H-quinazolin-2-ylidene]cyclohexa-1,5-diene-1-carboxylate Openeye Name: methyl (3E)-4-oxo-3-[4-[[(3S)-pyrrolidin-3-yl]amino]-1H-quinazolin-2-ylidene]cyclohexa-1,5-diene-1-carboxylate CAS Name: (3E)-4-oxo-3-[4-[[(3S)-3-pyrrolidinyl]amino]-1H-quinazolin-2-ylidene]-1-cyclohexa-1,5-dienecarboxylic acid methyl ester IUPAC Name: methyl (3E)-4-oxo-3-[4-[[(3S)-pyrrolidin-3-yl]amino]-1H-quinazolin-2-ylidene]cyclohexa-1,5-diene-1-carboxylate Traditional Name: (3E)-4-keto-3-[4-[[(3S)-pyrrolidin-3-yl]amino]-1H-quinazolin-2-ylidene]cyclohexa-1,5-diene-1-carboxylic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2NC3=CC=CC=C3C(=N2)NC4CCNC4)C(=O)C=C1

Isomeric SMILES

COC(=O)C1=C/C(=C\2/NC3=CC=CC=C3C(=N2)N[C@H]4CCNC4)/C(=O)C=C1

InChI

InChI=1S/C20H20N4O3/c1-27-20(26)12-6-7-17(25)15(10-12)19-23-16-5-3-2-4-14(16)18(24-19)22-13-8-9-21-11-13/h2-7,10,13,21,23H,8-9,11H2,1H3,(H,22,24)/b19-15+/t13-/m0/s1