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

Systemtic Name: 4-[4-azanyl-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[4-amino-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-2-carboxylic acid CAS Name: 4-[4-amino-5-(4-methoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[4-amino-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[4-amino-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]proline Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)N)C4CC(NC4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)N)C4CC(NC4)C(=O)O

InChI

InChI=1S/C18H19N5O3/c1-26-12-4-2-10(3-5-12)13-8-23(11-6-14(18(24)25)20-7-11)17-15(13)16(19)21-9-22-17/h2-5,8-9,11,14,20H,6-7H2,1H3,(H,24,25)(H2,19,21,22)