4-[4-azanyl-5-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-[4-azanyl-5-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[4-amino-5-(m-tolyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-2-carboxylic acid CAS Name: 4-[4-amino-5-(3-methylphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[4-amino-5-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[4-amino-5-(m-tolyl)pyrrolo[2,3-d]pyrimidin-7-yl]proline Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CC(NC4)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CC(NC4)C(=O)O

InChI

InChI=1S/C18H19N5O2/c1-10-3-2-4-11(5-10)13-8-23(12-6-14(18(24)25)20-7-12)17-15(13)16(19)21-9-22-17/h2-5,8-9,12,14,20H,6-7H2,1H3,(H,24,25)(H2,19,21,22)