5-[(E)-[4-(2-azanylpyrimidin-5-yl)-2-oxidanylidene-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-[(E)-[4-(2-azanylpyrimidin-5-yl)-2-oxidanylidene-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[(E)-[4-(2-aminopyrimidin-5-yl)-2-oxo-indolin-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[(E)-[4-(2-amino-5-pyrimidinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[(E)-[4-(2-aminopyrimidin-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[(E)-[4-(2-aminopyrimidin-5-yl)-2-keto-indolin-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)O)C)C=C2C3=C(C=CC=C3NC2=O)C4=CN=C(N=C4)N

Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)/C=C/2\C3=C(C=CC=C3NC2=O)C4=CN=C(N=C4)N

InChI

InChI=1S/C20H17N5O3/c1-9-15(24-10(2)16(9)19(27)28)6-13-17-12(11-7-22-20(21)23-8-11)4-3-5-14(17)25-18(13)26/h3-8,24H,1-2H3,(H,25,26)(H,27,28)(H2,21,22,23)/b13-6+