N-(2,5-dimethoxyphenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2,5-dimethoxyphenyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,5-dimethoxyphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,5-dimethoxyphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)OC)OC)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)OC)OC)NC1=S

InChI

InChI=1S/C21H23N3O5S/c1-27-10-4-9-24-20(26)15-7-5-13(11-16(15)23-21(24)30)19(25)22-17-12-14(28-2)6-8-18(17)29-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,22,25)(H,23,30)