1-carbamimidoyl-1,2-dimethyl-guanidine; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid

Systemtic Name: 1-carbamimidoyl-1,2-dimethyl-guanidine; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 1-carbamimidoyl-1,2-dimethyl-guanidine; 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid CAS Name: 1-carbamimidoyl-1,2-dimethylguanidine; 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid IUPAC Name: 1-carbamimidoyl-1,2-dimethylguanidine; 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid Traditional Name: 1-amidino-1,2-dimethyl-guanidine; 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid Formula: C13H21N9O4 MolecularWeight: 367.36374

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)N(C)C(=N)N.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O

Isomeric SMILES

CN=C(N)N(C)C(=N)N.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O

InChI

InChI=1S/C9H10N4O4.C4H11N5/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-8-4(7)9(2)3(5)6/h4H,3H2,1-2H3,(H,14,15);1-2H3,(H3,5,6)(H2,7,8)