3-(3-methylbutyl)-2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(3-methylbutyl)-2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-isopentyl-2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(3-methylbutyl)-2-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(3-methylbutyl)-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-isoamyl-2-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C25H28N4O2S2 MolecularWeight: 480.64542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3CCC(C)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3CCC(C)C)C=C1

InChI

InChI=1S/C25H28N4O2S2/c1-15(2)10-11-28-24(31)22-18-6-4-5-7-19(18)33-23(22)27-25(28)32-14-17-12-21(30)29-13-16(3)8-9-20(29)26-17/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3