[1-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxy-quinazolin-7-yl]oxy-3-piperidin-1-yl-propan-2-yl] bis(phenylmethyl) phosphate

Systemtic Name: [1-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxy-quinazolin-7-yl]oxy-3-piperidin-1-yl-propan-2-yl] bis(phenylmethyl) phosphate Openeye Name: [1-[[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]-2-(1-piperidyl)ethyl] dibenzyl phosphate CAS Name: phosphoric acid [1-[[4-[(2-benzamido-5-pyrimidinyl)amino]-6-methoxy-7-quinazolinyl]oxy]-3-(1-piperidinyl)propan-2-yl] bis(phenylmethyl) ester IUPAC Name: [1-[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-yl] dibenzyl phosphate Traditional Name: phosphoric acid [1-[[4-[(2-benzamidopyrimidin-5-yl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]-2-piperidino-ethyl] dibenzyl ester Formula: C42H44N7O7P MolecularWeight: 789.815221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CN=C(N=C3)NC(=O)C4=CC=CC=C4)OCC(CN5CCCCC5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CN=C(N=C3)NC(=O)C4=CC=CC=C4)OCC(CN5CCCCC5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C42H44N7O7P/c1-52-38-22-36-37(45-30-46-40(36)47-34-24-43-42(44-25-34)48-41(50)33-18-10-4-11-19-33)23-39(38)53-29-35(26-49-20-12-5-13-21-49)56-57(51,54-27-31-14-6-2-7-15-31)55-28-32-16-8-3-9-17-32/h2-4,6-11,14-19,22-25,30,35H,5,12-13,20-21,26-29H2,1H3,(H,45,46,47)(H,43,44,48,50)