1-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]-3-(1-phenylethyl)thiourea

Systemtic Name: 1-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]-3-(1-phenylethyl)thiourea Openeye Name: 1-[6-methoxy-7-[(1-methyl-4-piperidyl)methoxy]quinazolin-4-yl]-3-(1-phenylethyl)thiourea CAS Name: 1-[6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinyl]-3-(1-phenylethyl)thiourea IUPAC Name: 1-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]-3-(1-phenylethyl)thiourea Traditional Name: 1-[6-methoxy-7-[(1-methyl-4-piperidyl)methoxy]quinazolin-4-yl]-3-(1-phenylethyl)thiourea Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NC2=NC=NC3=CC(=C(C=C32)OC)OCC4CCN(CC4)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)NC2=NC=NC3=CC(=C(C=C32)OC)OCC4CCN(CC4)C

InChI

InChI=1S/C25H31N5O2S/c1-17(19-7-5-4-6-8-19)28-25(33)29-24-20-13-22(31-3)23(14-21(20)26-16-27-24)32-15-18-9-11-30(2)12-10-18/h4-8,13-14,16-18H,9-12,15H2,1-3H3,(H2,26,27,28,29,33)