methyl 2-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN(CC=C)CC3=CC=C(S3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN(CC=C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-3-8-23(10-13-5-7-16(20)27-13)11-17-21-15-9-12(19(25)26-2)4-6-14(15)18(24)22-17/h3-7,9H,1,8,10-11H2,2H3,(H,21,22,24)