3-heptyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-heptyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-heptyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-heptyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-heptyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-heptyl-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C18H26N2OS MolecularWeight: 318.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=NC2=C(C1=O)C3=C(S2)CC(CC3)C

Isomeric SMILES

CCCCCCCN1C=NC2=C(C1=O)C3=C(S2)CC(CC3)C

InChI

InChI=1S/C18H26N2OS/c1-3-4-5-6-7-10-20-12-19-17-16(18(20)21)14-9-8-13(2)11-15(14)22-17/h12-13H,3-11H2,1-2H3