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

Systemtic Name: 3-azanyl-5-[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-piperidin-4-yl-amino]pyrazine-2-carboxylic acid Openeye Name: 3-amino-5-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-(4-piperidyl)amino]pyrazine-2-carboxylic acid CAS Name: 3-amino-5-[(4-amino-6,7-dimethoxy-2-quinazolinyl)-(4-piperidinyl)amino]-2-pyrazinecarboxylic acid IUPAC Name: 3-amino-5-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-piperidin-4-ylamino]pyrazine-2-carboxylic acid Traditional Name: 3-amino-5-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-(4-piperidyl)amino]pyrazinoic acid Formula: C20H24N8O4 MolecularWeight: 440.45576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N(C3CCNCC3)C4=CN=C(C(=N4)N)C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N(C3CCNCC3)C4=CN=C(C(=N4)N)C(=O)O)N)OC

InChI

InChI=1S/C20H24N8O4/c1-31-13-7-11-12(8-14(13)32-2)25-20(27-17(11)21)28(10-3-5-23-6-4-10)15-9-24-16(19(29)30)18(22)26-15/h7-10,23H,3-6H2,1-2H3,(H2,22,26)(H,29,30)(H2,21,25,27)