[(2R)-1-[3-[4-[[5-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R)-1-[3-[4-[[5-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R)-1-[3-[4-[[5-[2-(3-chloroanilino)-2-oxo-ethyl]thiazol-2-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate CAS Name: [(2R)-1-[3-[[4-[[5-[2-(3-chloroanilino)-2-oxoethyl]-2-thiazolyl]amino]-6-methoxy-7-quinazolinyl]oxy]propyl]-2-pyrrolidinyl]methyl dihydrogen phosphate IUPAC Name: [(2R)-1-[3-[4-[[5-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R)-1-[3-[4-[[5-[2-(3-chloroanilino)-2-keto-ethyl]thiazol-2-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate Formula: C28H32ClN6O7PS MolecularWeight: 663.081441

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=NC=C(S3)CC(=O)NC4=CC(=CC=C4)Cl)OCCCN5CCCC5COP(=O)(O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=NC=C(S3)CC(=O)NC4=CC(=CC=C4)Cl)OCCCN5CCC[C@@H]5COP(=O)(O)O

InChI

InChI=1S/C28H32ClN6O7PS/c1-40-24-13-22-23(14-25(24)41-10-4-9-35-8-3-7-20(35)16-42-43(37,38)39)31-17-32-27(22)34-28-30-15-21(44-28)12-26(36)33-19-6-2-5-18(29)11-19/h2,5-6,11,13-15,17,20H,3-4,7-10,12,16H2,1H3,(H,33,36)(H2,37,38,39)(H,30,31,32,34)/t20-/m1/s1