[2-[3-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-4-oxidanylidene-quinazolin-6-yl]piperazin-1-yl] ethanoate

Systemtic Name: [2-[3-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-4-oxidanylidene-quinazolin-6-yl]piperazin-1-yl] ethanoate Openeye Name: [2-[3-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-4-oxo-quinazolin-6-yl]piperazin-1-yl] acetate CAS Name: acetic acid [2-[3-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-4-oxo-6-quinazolinyl]-1-piperazinyl] ester IUPAC Name: [2-[3-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-oxoquinazolin-6-yl]piperazin-1-yl] acetate Traditional Name: acetic acid [2-[3-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-4-keto-quinazolin-6-yl]piperazino] ester Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(C3=O)C=C(C=C4)C5CNCCN5OC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(C3=O)C=C(C=C4)C5CNCCN5OC(=O)C

InChI

InChI=1S/C25H27N5O4/c1-15-3-4-18(24(32)28-19-6-7-19)12-22(15)29-14-27-21-8-5-17(11-20(21)25(29)33)23-13-26-9-10-30(23)34-16(2)31/h3-5,8,11-12,14,19,23,26H,6-7,9-10,13H2,1-2H3,(H,28,32)