6-azanyl-2-methyl-heptan-2-ol; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid

Systemtic Name: 6-azanyl-2-methyl-heptan-2-ol; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 6-amino-2-methyl-heptan-2-ol; 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid CAS Name: 6-amino-2-methyl-2-heptanol; 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid IUPAC Name: 6-amino-2-methylheptan-2-ol; 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid Traditional Name: 6-amino-2-methyl-heptan-2-ol; 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid Formula: C17H29N5O5 MolecularWeight: 383.44266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O4.C8H19NO/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-7(9)5-4-6-8(2,3)10/h4H,3H2,1-2H3,(H,14,15);7,10H,4-6,9H2,1-3H3