2-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN(CC=C)CC3=CC=C(S3)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN(CC=C)CC3=CC=C(S3)Cl)OC

InChI

InChI=1S/C19H20ClN3O3S/c1-4-7-23(10-12-5-6-17(20)27-12)11-18-21-14-9-16(26-3)15(25-2)8-13(14)19(24)22-18/h4-6,8-9H,1,7,10-11H2,2-3H3,(H,21,22,24)