N-[(1R)-1-(3-aminophenyl)-2-oxidanyl-ethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(1R)-1-(3-aminophenyl)-2-oxidanyl-ethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide Openeye Name: N-[(1R)-1-(3-aminophenyl)-2-hydroxy-ethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide CAS Name: N-[(1R)-1-(3-aminophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[(1R)-1-(3-aminophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide Traditional Name: N-[(1R)-1-(3-aminophenyl)-2-hydroxy-ethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide Formula: C18H17N7O2 MolecularWeight: 363.37328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C(CO)NC(=O)C2=CC(=CN2)C3=C4C(=NC=N3)N=CN4

Isomeric SMILES

C1=CC(=CC(=C1)N)[C@H](CO)NC(=O)C2=CC(=CN2)C3=C4C(=NC=N3)N=CN4

InChI

InChI=1S/C18H17N7O2/c19-12-3-1-2-10(4-12)14(7-26)25-18(27)13-5-11(6-20-13)15-16-17(23-8-21-15)24-9-22-16/h1-6,8-9,14,20,26H,7,19H2,(H,25,27)(H,21,22,23,24)/t14-/m0/s1