3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-(2-pyrrol-1-ylethyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-(2-pyrrol-1-ylethyl)purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-(2-pyrrol-1-ylethyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)-1-[2-(1-pyrrolyl)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-(2-pyrrol-1-ylethyl)purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-1-(2-pyrrol-1-ylethyl)xanthine Formula: C21H29N7O2 MolecularWeight: 411.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCN4C=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCN4C=CC=C4)C)C

InChI

InChI=1S/C21H29N7O2/c1-16(2)6-11-27-17-18(23-20(27)26-12-7-22-8-13-26)24(3)21(30)28(19(17)29)15-14-25-9-4-5-10-25/h4-6,9-10,22H,7-8,11-15H2,1-3H3