4-[(4,8-dimethyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]-1-(1-phenylethyl)pyrrole-2-carboxylic acid

Systemtic Name: 4-[(4,8-dimethyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl)amino]-1-(1-phenylethyl)pyrrole-2-carboxylic acid Openeye Name: 4-[(4,8-dimethyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl)amino]-1-(1-phenylethyl)pyrrole-2-carboxylic acid CAS Name: 4-[(4,8-dimethyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl)amino]-1-(1-phenylethyl)-2-pyrrolecarboxylic acid IUPAC Name: 4-[(4,8-dimethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-1-(1-phenylethyl)pyrrole-2-carboxylic acid Traditional Name: 4-[(7-keto-4,8-dimethyl-pyrido[2,3-d]pyrimidin-2-yl)amino]-1-(1-phenylethyl)pyrrole-2-carboxylic acid Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)N(C2=NC(=N1)NC3=CN(C(=C3)C(=O)O)C(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C2C=CC(=O)N(C2=NC(=N1)NC3=CN(C(=C3)C(=O)O)C(C)C4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5O3/c1-13-17-9-10-19(28)26(3)20(17)25-22(23-13)24-16-11-18(21(29)30)27(12-16)14(2)15-7-5-4-6-8-15/h4-12,14H,1-3H3,(H,29,30)(H,23,24,25)