methyl 3-(3-methoxypropyl)-4-oxidanylidene-2-(phenanthridin-6-ylmethylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-methoxypropyl)-4-oxidanylidene-2-(phenanthridin-6-ylmethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 3-(3-methoxypropyl)-4-oxo-2-(phenanthridin-6-ylmethylsulfanyl)quinazoline-7-carboxylate CAS Name: 3-(3-methoxypropyl)-4-oxo-2-(6-phenanthridinylmethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-methoxypropyl)-4-oxo-2-(phenanthridin-6-ylmethylsulfanyl)quinazoline-7-carboxylate Traditional Name: 4-keto-3-(3-methoxypropyl)-2-(phenanthridin-6-ylmethylthio)quinazoline-7-carboxylic acid methyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C28H25N3O4S/c1-34-15-7-14-31-26(32)22-13-12-18(27(33)35-2)16-24(22)30-28(31)36-17-25-21-10-4-3-8-19(21)20-9-5-6-11-23(20)29-25/h3-6,8-13,16H,7,14-15,17H2,1-2H3