methyl 4-[[4-[(3-methylphenyl)amino]quinazolin-6-yl]amino]butanoate

Systemtic Name: methyl 4-[[4-[(3-methylphenyl)amino]quinazolin-6-yl]amino]butanoate Openeye Name: methyl 4-[[4-(3-methylanilino)quinazolin-6-yl]amino]butanoate CAS Name: 4-[[4-(3-methylanilino)-6-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-methylanilino)quinazolin-6-yl]amino]butanoate Traditional Name: 4-[[4-(m-toluidino)quinazolin-6-yl]amino]butyric acid methyl ester Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NCCCC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NCCCC(=O)OC

InChI

InChI=1S/C20H22N4O2/c1-14-5-3-6-16(11-14)24-20-17-12-15(8-9-18(17)22-13-23-20)21-10-4-7-19(25)26-2/h3,5-6,8-9,11-13,21H,4,7,10H2,1-2H3,(H,22,23,24)