7-[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C16H19N7O5 MolecularWeight: 389.36596

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)N

InChI

InChI=1S/C16H19N7O5/c1-4-5-23-11(17)9(13(25)19-15(23)27)8(24)6-22-7-18-12-10(22)14(26)21(3)16(28)20(12)2/h7H,4-6,17H2,1-3H3,(H,19,25,27)