[2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-butylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-keto-ethyl] ester Formula: C18H24N6O5 MolecularWeight: 404.42036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C18H24N6O5/c1-3-5-9-23(13(25)11-29-17(27)12-10-20-6-7-21-12)14-15(19)24(8-4-2)18(28)22-16(14)26/h6-7,10H,3-5,8-9,11,19H2,1-2H3,(H,22,26,28)