7-decyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione

Systemtic Name: 7-decyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione Openeye Name: 7-decyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 7-decyl-1,3-dimethyl-8-[(4-phenyl-1-piperazinyl)methyl]purine-2,6-dione IUPAC Name: 7-decyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-decyl-1,3-dimethyl-8-[(4-phenylpiperazino)methyl]xanthine Formula: C28H42N6O2 MolecularWeight: 494.67208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C28H42N6O2/c1-4-5-6-7-8-9-10-14-17-34-24(29-26-25(34)27(35)31(3)28(36)30(26)2)22-32-18-20-33(21-19-32)23-15-12-11-13-16-23/h11-13,15-16H,4-10,14,17-22H2,1-3H3