3-(4-ethoxyphenyl)-1-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 3-(4-ethoxyphenyl)-1-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione Openeye Name: 3-(4-ethoxyphenyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2,4-dione CAS Name: 3-(4-ethoxyphenyl)-1-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione IUPAC Name: 3-(4-ethoxyphenyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione Traditional Name: 1-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-p-phenetyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2,4-quinone Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC4=CC(=O)N5C=CC=CC5=N4)SC6=C3CCCC6

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC4=CC(=O)N5C=CC=CC5=N4)SC6=C3CCCC6

InChI

InChI=1S/C27H24N4O4S/c1-2-35-19-12-10-18(11-13-19)31-25(33)24-20-7-3-4-8-21(20)36-26(24)30(27(31)34)16-17-15-23(32)29-14-6-5-9-22(29)28-17/h5-6,9-15H,2-4,7-8,16H2,1H3