5-(2-azanylpyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylic acid CAS Name: 5-(2-amino-4-pyrimidinyl)-2-(1-methyl-3-indolyl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylic acid Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=C(C=C(N3)C4=NC(=NC=C4)N)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C=C(N3)C4=NC(=NC=C4)N)C(=O)O

InChI

InChI=1S/C18H15N5O2/c1-23-9-12(10-4-2-3-5-15(10)23)16-11(17(24)25)8-14(21-16)13-6-7-20-18(19)22-13/h2-9,21H,1H3,(H,24,25)(H2,19,20,22)