3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 6-phenylmethoxy-7H-purin-2-amine

Systemtic Name: 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 6-phenylmethoxy-7H-purin-2-amine Openeye Name: 6-benzyloxy-7H-purin-2-amine; 3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide CAS Name: 3-methyl-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarboxamide; 6-phenylmethoxy-7H-purin-2-amine IUPAC Name: 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 6-phenylmethoxy-7H-purin-2-amine Traditional Name: (6-benzoxy-7H-purin-2-yl)amine; 4-keto-3-methyl-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide Formula: C18H17N11O3 MolecularWeight: 435.39948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N2C=NC(=C2N=N1)C(=O)N.C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N

Isomeric SMILES

CN1C(=O)N2C=NC(=C2N=N1)C(=O)N.C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N

InChI

InChI=1S/C12H11N5O.C6H6N6O2/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8;1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h1-5,7H,6H2,(H3,13,14,15,16,17);2H,1H3,(H2,7,13)