1-(cyclopropylmethyl)-8-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-(cyclopropylmethyl)-8-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-(cyclopropylmethyl)-8-[1-(2-pyridylmethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione CAS Name: 1-(cyclopropylmethyl)-8-[1-(2-pyridinylmethyl)-4-pyrazolyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(cyclopropylmethyl)-8-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Traditional Name: 1-(cyclopropylmethyl)-8-[1-(2-pyridylmethyl)pyrazol-4-yl]-7H-xanthine Formula: C18H17N7O2 MolecularWeight: 363.37328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C(=O)C3=C(NC2=O)N=C(N3)C4=CN(N=C4)CC5=CC=CC=N5

Isomeric SMILES

C1CC1CN2C(=O)C3=C(NC2=O)N=C(N3)C4=CN(N=C4)CC5=CC=CC=N5

InChI

InChI=1S/C18H17N7O2/c26-17-14-16(23-18(27)25(17)8-11-4-5-11)22-15(21-14)12-7-20-24(9-12)10-13-3-1-2-6-19-13/h1-3,6-7,9,11H,4-5,8,10H2,(H,21,22)(H,23,27)