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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)SC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N(CC1=CC=CC=C1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)SC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3S/c1-19(35-22-15-9-4-10-16-22)26(33)30(17-20-11-5-2-6-12-20)23-24(28)31(27(34)29-25(23)32)18-21-13-7-3-8-14-21/h2-16,19H,17-18,28H2,1H3,(H,29,32,34)