1-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]-1,2-dimethyl-guanidine

Systemtic Name: 1-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]-1,2-dimethyl-guanidine Openeye Name: 1-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1,2-dimethyl-guanidine CAS Name: 1-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1,2-dimethylguanidine IUPAC Name: 1-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1,2-dimethylguanidine Traditional Name: 1-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenyl]-1,2-dimethyl-guanidine Formula: C20H27N7O2 MolecularWeight: 397.47408

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)N(C)C(=NC)N

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)N(C)C(=NC)N

InChI

InChI=1S/C20H27N7O2/c1-5-11-26-17-15(18(28)27(12-6-2)20(26)29)23-16(24-17)13-7-9-14(10-8-13)25(4)19(21)22-3/h7-10H,5-6,11-12H2,1-4H3,(H2,21,22)(H,23,24)