N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-oxidanylidene-3-(2-piperidin-1-ylethyl)quinazoline-7-carboxamide

Systemtic Name: N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-oxidanylidene-3-(2-piperidin-1-ylethyl)quinazoline-7-carboxamide Openeye Name: N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-oxo-3-[2-(1-piperidyl)ethyl]quinazoline-7-carboxamide CAS Name: N-[3-(4,6-dimethoxy-2-pyrimidinyl)phenyl]-4-oxo-3-[2-(1-piperidinyl)ethyl]-7-quinazolinecarboxamide IUPAC Name: N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-oxo-3-(2-piperidin-1-ylethyl)quinazoline-7-carboxamide Traditional Name: N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-keto-3-(2-piperidinoethyl)quinazoline-7-carboxamide Formula: C28H30N6O4 MolecularWeight: 514.5756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C=N4)CCN5CCCCC5)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C=N4)CCN5CCCCC5)OC

InChI

InChI=1S/C28H30N6O4/c1-37-24-17-25(38-2)32-26(31-24)19-7-6-8-21(15-19)30-27(35)20-9-10-22-23(16-20)29-18-34(28(22)36)14-13-33-11-4-3-5-12-33/h6-10,15-18H,3-5,11-14H2,1-2H3,(H,30,35)