5-butyl-2-phenylazanyl-5-(2-sulfanylethyl)-1H-pyrimidine-4,6-dione

Systemtic Name: 5-butyl-2-phenylazanyl-5-(2-sulfanylethyl)-1H-pyrimidine-4,6-dione Openeye Name: 2-anilino-5-butyl-5-(2-sulfanylethyl)-1H-pyrimidine-4,6-dione CAS Name: 2-anilino-5-butyl-5-(2-mercaptoethyl)-1H-pyrimidine-4,6-dione IUPAC Name: 2-anilino-5-butyl-5-(2-sulfanylethyl)-1H-pyrimidine-4,6-dione Traditional Name: 2-anilino-5-butyl-5-(2-mercaptoethyl)-1H-pyrimidine-4,6-quinone Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=NC1=O)NC2=CC=CC=C2)CCS

Isomeric SMILES

CCCCC1(C(=O)NC(=NC1=O)NC2=CC=CC=C2)CCS

InChI

InChI=1S/C16H21N3O2S/c1-2-3-9-16(10-11-22)13(20)18-15(19-14(16)21)17-12-7-5-4-6-8-12/h4-8,22H,2-3,9-11H2,1H3,(H2,17,18,19,20,21)