3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazoline-7-carboxamide

Systemtic Name: 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazoline-7-carboxamide Openeye Name: 3-(2-furylmethyl)-N-(2-methoxyethyl)-4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazoline-7-carboxamide CAS Name: 3-(2-furanylmethyl)-N-(2-methoxyethyl)-4-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-7-quinazolinecarboxamide IUPAC Name: 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazoline-7-carboxamide Traditional Name: 3-(2-furfuryl)-4-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C29H31N5O5S MolecularWeight: 561.65194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CO5

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CO5

InChI

InChI=1S/C29H31N5O5S/c1-38-17-11-30-27(36)21-9-10-24-25(18-21)31-29(34(28(24)37)19-23-8-5-16-39-23)40-20-26(35)33-14-12-32(13-15-33)22-6-3-2-4-7-22/h2-10,16,18H,11-15,17,19-20H2,1H3,(H,30,36)