3-azanyl-5-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]-6-chloranyl-pyrazine-2-carboxylic acid

Systemtic Name: 3-azanyl-5-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]-6-chloranyl-pyrazine-2-carboxylic acid Openeye Name: 3-amino-5-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]-6-chloro-pyrazine-2-carboxylic acid CAS Name: 3-amino-5-[[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]amino]-6-chloro-2-pyrazinecarboxylic acid IUPAC Name: 3-amino-5-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]amino]-6-chloropyrazine-2-carboxylic acid Traditional Name: 3-amino-5-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]-6-chloro-pyrazinoic acid Formula: C20H23ClN8O4 MolecularWeight: 474.90082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)NC4=NC(=C(N=C4Cl)C(=O)O)N)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)NC4=NC(=C(N=C4Cl)C(=O)O)N)N)OC

InChI

InChI=1S/C20H23ClN8O4/c1-32-12-7-10-11(8-13(12)33-2)25-20(28-16(10)22)29-5-3-9(4-6-29)24-18-15(21)26-14(19(30)31)17(23)27-18/h7-9H,3-6H2,1-2H3,(H,30,31)(H2,22,25,28)(H3,23,24,27)