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

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-N,N-dimethyl-benzenecarboximidamide Openeye Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N,N-dimethyl-benzamidine CAS Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N,N-dimethylbenzenecarboximidamide IUPAC Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N,N-dimethylbenzenecarboximidamide Traditional Name: 4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)-N,N-dimethyl-benzamidine Formula: C20H26N6O2 MolecularWeight: 382.45944

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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)C(=N)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O2/c1-5-11-25-18-15(19(27)26(12-6-2)20(25)28)22-17(23-18)14-9-7-13(8-10-14)16(21)24(3)4/h7-10,21H,5-6,11-12H2,1-4H3,(H,22,23)