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

Systemtic Name: N-[4-azanyl-2,6-bis(oxidanylidene)-1,3-dipropyl-pyrimidin-5-yl]-2-methyl-3-phenylsulfanyl-propanamide Openeye Name: N-(4-amino-2,6-dioxo-1,3-dipropyl-pyrimidin-5-yl)-2-methyl-3-phenylsulfanyl-propanamide CAS Name: N-(4-amino-2,6-dioxo-1,3-dipropyl-5-pyrimidinyl)-2-methyl-3-(phenylthio)propanamide IUPAC Name: N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-2-methyl-3-phenylsulfanylpropanamide Traditional Name: N-(4-amino-2,6-diketo-1,3-dipropyl-pyrimidin-5-yl)-2-methyl-3-(phenylthio)propionamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)CCC)NC(=O)C(C)CSC2=CC=CC=C2)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)CCC)NC(=O)C(C)CSC2=CC=CC=C2)N

InChI

InChI=1S/C20H28N4O3S/c1-4-11-23-17(21)16(19(26)24(12-5-2)20(23)27)22-18(25)14(3)13-28-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13,21H2,1-3H3,(H,22,25)