4-[4-azanyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1,2-dicarboxylic acid

Systemtic Name: 4-[4-azanyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1,2-dicarboxylic acid Openeye Name: 4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1,2-dicarboxylic acid CAS Name: 4-[4-amino-5-(3-methoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]pyrrolidine-1,2-dicarboxylic acid IUPAC Name: 4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1,2-dicarboxylic acid Traditional Name: 4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1,2-dicarboxylic acid Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CC(N(C4)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CC(N(C4)C(=O)O)C(=O)O

InChI

InChI=1S/C19H19N5O5/c1-29-12-4-2-3-10(5-12)13-8-23(17-15(13)16(20)21-9-22-17)11-6-14(18(25)26)24(7-11)19(27)28/h2-5,8-9,11,14H,6-7H2,1H3,(H,25,26)(H,27,28)(H2,20,21,22)