N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(phenylmethyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(phenylmethyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-3-phenylsulfanyl-propanamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(phenylmethyl)-3-(phenylthio)propanamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-phenylsulfanylpropanamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-3-(phenylthio)propionamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=CC=C4)N

InChI

InChI=1S/C27H26N4O3S/c28-25-24(26(33)29-27(34)31(25)19-21-12-6-2-7-13-21)30(18-20-10-4-1-5-11-20)23(32)16-17-35-22-14-8-3-9-15-22/h1-15H,16-19,28H2,(H,29,33,34)