9-(2-methoxyphenyl)-8-oxidanylidene-2-[[(3S)-pyrrolidin-3-yl]amino]-7H-purine-6-carboxamide

Systemtic Name: 9-(2-methoxyphenyl)-8-oxidanylidene-2-[[(3S)-pyrrolidin-3-yl]amino]-7H-purine-6-carboxamide Openeye Name: 9-(2-methoxyphenyl)-8-oxo-2-[[(3S)-pyrrolidin-3-yl]amino]-7H-purine-6-carboxamide CAS Name: 9-(2-methoxyphenyl)-8-oxo-2-[[(3S)-3-pyrrolidinyl]amino]-7H-purine-6-carboxamide IUPAC Name: 9-(2-methoxyphenyl)-8-oxo-2-[[(3S)-pyrrolidin-3-yl]amino]-7H-purine-6-carboxamide Traditional Name: 8-keto-9-(2-methoxyphenyl)-2-[[(3S)-pyrrolidin-3-yl]amino]-7H-purine-6-carboxamide Formula: C17H19N7O3 MolecularWeight: 369.37786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)NC4CCNC4

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)N[C@H]4CCNC4

InChI

InChI=1S/C17H19N7O3/c1-27-11-5-3-2-4-10(11)24-15-13(22-17(24)26)12(14(18)25)21-16(23-15)20-9-6-7-19-8-9/h2-5,9,19H,6-8H2,1H3,(H2,18,25)(H,22,26)(H,20,21,23)/t9-/m0/s1