N-[4-azanyl-6-oxidanylidene-5-(5-phenylmethoxypentyl)-2-sulfanylidene-pyrimidin-5-yl]methanamide

Systemtic Name: N-[4-azanyl-6-oxidanylidene-5-(5-phenylmethoxypentyl)-2-sulfanylidene-pyrimidin-5-yl]methanamide Openeye Name: N-[4-amino-5-(5-benzyloxypentyl)-6-oxo-2-thioxo-pyrimidin-5-yl]formamide CAS Name: N-[4-amino-6-oxo-5-(5-phenylmethoxypentyl)-2-sulfanylidene-5-pyrimidinyl]formamide IUPAC Name: N-[4-amino-6-oxo-5-(5-phenylmethoxypentyl)-2-sulfanylidenepyrimidin-5-yl]formamide Traditional Name: N-[4-amino-5-(5-benzoxypentyl)-6-keto-2-thioxo-pyrimidin-5-yl]formamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCCC2(C(=NC(=S)NC2=O)N)NC=O

Isomeric SMILES

C1=CC=C(C=C1)COCCCCCC2(C(=NC(=S)NC2=O)N)NC=O

InChI

InChI=1S/C17H22N4O3S/c18-14-17(19-12-22,15(23)21-16(25)20-14)9-5-2-6-10-24-11-13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,19,22)(H3,18,20,21,23,25)