7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyrrolidin-1-ylamino)purine-2,6-dione

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyrrolidin-1-ylamino)purine-2,6-dione Openeye Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyrrolidin-1-ylamino)purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(1-pyrrolidinylamino)purine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyrrolidin-1-ylamino)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-p-anisyl-8-(pyrrolidinoamino)xanthine Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN3CCCC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN3CCCC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C19H24N6O3/c1-22-16-15(17(26)23(2)19(22)27)25(12-13-6-8-14(28-3)9-7-13)18(20-16)21-24-10-4-5-11-24/h6-9H,4-5,10-12H2,1-3H3,(H,20,21)