8-[(dipropylamino)methyl]-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-[(dipropylamino)methyl]-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[(dipropylamino)methyl]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[(dipropylamino)methyl]-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[(dipropylamino)methyl]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(dipropylamino)methyl]-3-methyl-7-phenethyl-xanthine Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCN(CCC)CC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H29N5O2/c1-4-12-25(13-5-2)15-17-22-19-18(20(27)23-21(28)24(19)3)26(17)14-11-16-9-7-6-8-10-16/h6-10H,4-5,11-15H2,1-3H3,(H,23,27,28)