N-(2,2-dimethoxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2,2-dimethoxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2,2-dimethoxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,2-dimethoxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,2-dimethoxyethyl)-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,2-dimethoxyethyl)-4-keto-3-o-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC(OC)OC)NC2=S

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC(OC)OC)NC2=S

InChI

InChI=1S/C21H23N3O5S/c1-27-17-7-5-4-6-14(17)12-24-20(26)15-9-8-13(10-16(15)23-21(24)30)19(25)22-11-18(28-2)29-3/h4-10,18H,11-12H2,1-3H3,(H,22,25)(H,23,30)