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

Systemtic Name: 2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenyl]guanidine Openeye Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]guanidine CAS Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]guanidine IUPAC Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]guanidine Traditional Name: 2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenyl]guanidine Formula: C18H23N7O2 MolecularWeight: 369.42092

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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(N)N

Isomeric SMILES

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

InChI

InChI=1S/C18H23N7O2/c1-3-9-24-15-13(16(26)25(10-4-2)18(24)27)22-14(23-15)11-5-7-12(8-6-11)21-17(19)20/h5-8H,3-4,9-10H2,1-2H3,(H,22,23)(H4,19,20,21)