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

Systemtic Name: 1-(cyclopropylmethyl)-8-[1-(phenylmethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-1-(cyclopropylmethyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(cyclopropylmethyl)-8-[1-(phenylmethyl)-4-pyrazolyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-1-(cyclopropylmethyl)-3,7-dihydropurine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-1-(cyclopropylmethyl)-7H-xanthine Formula: C19H18N6O2 MolecularWeight: 362.38522

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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=C5

Isomeric SMILES

C1CC1CN2C(=O)C3=C(NC2=O)N=C(N3)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C19H18N6O2/c26-18-15-17(23-19(27)25(18)10-13-6-7-13)22-16(21-15)14-8-20-24(11-14)9-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,21,22)(H,23,27)