methyl 2-(cyanoamino)-5-[5-[2-(cyanoamino)pyrimidin-5-yl]pentyl]-4-oxidanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: methyl 2-(cyanoamino)-5-[5-[2-(cyanoamino)pyrimidin-5-yl]pentyl]-4-oxidanylidene-1H-pyrimidine-6-carboxylate Openeye Name: methyl 2-(cyanoamino)-5-[5-[2-(cyanoamino)pyrimidin-5-yl]pentyl]-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 2-(cyanoamino)-5-[5-[2-(cyanoamino)-5-pyrimidinyl]pentyl]-4-oxo-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(cyanoamino)-5-[5-[2-(cyanoamino)pyrimidin-5-yl]pentyl]-4-oxo-1H-pyrimidine-6-carboxylate Traditional Name: 2-(cyanoamino)-5-[5-[2-(cyanoamino)pyrimidin-5-yl]pentyl]-4-keto-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C17H18N8O3 MolecularWeight: 382.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)N=C(N1)NC#N)CCCCCC2=CN=C(N=C2)NC#N

Isomeric SMILES

COC(=O)C1=C(C(=O)N=C(N1)NC#N)CCCCCC2=CN=C(N=C2)NC#N

InChI

InChI=1S/C17H18N8O3/c1-28-15(27)13-12(14(26)25-17(24-13)23-10-19)6-4-2-3-5-11-7-20-16(21-8-11)22-9-18/h7-8H,2-6H2,1H3,(H,20,21,22)(H2,23,24,25,26)