3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(3-isopropoxypropyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(3-isopropoxypropyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

InChI

InChI=1S/C16H18N2O2S2/c1-10(2)20-9-5-8-18-15(19)14-13(17-16(18)21)11-6-3-4-7-12(11)22-14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,21)