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

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-3-phenylsulfanyl-propanamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-(2-methylpropyl)-3-(phenylthio)propanamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylsulfanylpropanamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-3-(phenylthio)propionamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCSC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCSC2=CC=CC=C2)N

InChI

InChI=1S/C21H30N4O3S/c1-14(2)12-24(17(26)10-11-29-16-8-6-5-7-9-16)18-19(22)25(13-15(3)4)21(28)23-20(18)27/h5-9,14-15H,10-13,22H2,1-4H3,(H,23,27,28)