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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(3-methylbutyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-4-phenylsulfanyl-butanamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(3-methylbutyl)-4-(phenylthio)butanamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-phenylsulfanylbutanamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-4-(phenylthio)butyramide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C26H32N4O3S/c1-19(2)15-16-29(22(31)14-9-17-34-21-12-7-4-8-13-21)23-24(27)30(26(33)28-25(23)32)18-20-10-5-3-6-11-20/h3-8,10-13,19H,9,14-18,27H2,1-2H3,(H,28,32,33)