N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-naphthalen-2-ylsulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-naphthalen-2-ylsulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-2-(2-naphthylsulfanyl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(2-naphthalenylthio)-N-(phenylmethyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-naphthalen-2-ylsulfanylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-2-(2-naphthylthio)acetamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CSC3=CC4=CC=CC=C4C=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CSC3=CC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C27H28N4O3S/c1-2-3-15-30-25(28)24(26(33)29-27(30)34)31(17-19-9-5-4-6-10-19)23(32)18-35-22-14-13-20-11-7-8-12-21(20)16-22/h4-14,16H,2-3,15,17-18,28H2,1H3,(H,29,33,34)