1,3-dimethyl-7-[2-[4-(7-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[4-(7-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[4-(7-methyl-1H-indol-3-yl)-1-piperidyl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-(7-methyl-1H-indol-3-yl)-1-piperidinyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[4-(7-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[4-(7-methyl-1H-indol-3-yl)piperidino]ethyl]xanthine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC=C2C3CCN(CC3)CCN4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CC1=CC=CC2=C1NC=C2C3CCN(CC3)CCN4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C23H28N6O2/c1-15-5-4-6-17-18(13-24-19(15)17)16-7-9-28(10-8-16)11-12-29-14-25-21-20(29)22(30)27(3)23(31)26(21)2/h4-6,13-14,16,24H,7-12H2,1-3H3