5-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-[3-keto-3-(4-p-anisyl-1,4-diazepan-1-yl)propyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H30N4O3S/c1-16-19(21(28)24-22(23-16)30-3)9-10-20(27)26-12-4-11-25(13-14-26)15-17-5-7-18(29-2)8-6-17/h5-8H,4,9-15H2,1-3H3,(H,23,24,28)