8-[[3-(aminomethyl)cyclohexyl]methylamino]-3-methyl-1-[(5R)-5-oxidanylhexyl]-7H-purine-2,6-dione

Systemtic Name: 8-[[3-(aminomethyl)cyclohexyl]methylamino]-3-methyl-1-[(5R)-5-oxidanylhexyl]-7H-purine-2,6-dione Openeye Name: 8-[[3-(aminomethyl)cyclohexyl]methylamino]-1-[(5R)-5-hydroxyhexyl]-3-methyl-7H-purine-2,6-dione CAS Name: 8-[[3-(aminomethyl)cyclohexyl]methylamino]-1-[(5R)-5-hydroxyhexyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[[3-(aminomethyl)cyclohexyl]methylamino]-1-[(5R)-5-hydroxyhexyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[[3-(aminomethyl)cyclohexyl]methylamino]-1-[(5R)-5-hydroxyhexyl]-3-methyl-7H-purine-2,6-quinone Formula: C20H34N6O3 MolecularWeight: 406.52236

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3CCCC(C3)CN)N(C1=O)C)O

Isomeric SMILES

C[C@H](CCCCN1C(=O)C2=C(N=C(N2)NCC3CCCC(C3)CN)N(C1=O)C)O

InChI

InChI=1S/C20H34N6O3/c1-13(27)6-3-4-9-26-18(28)16-17(25(2)20(26)29)24-19(23-16)22-12-15-8-5-7-14(10-15)11-21/h13-15,27H,3-12,21H2,1-2H3,(H2,22,23,24)/t13-,14?,15?/m1/s1