3-azanyl-2-[(3-methylphenoxy)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[(3-methylphenoxy)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[(3-methylphenoxy)methyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[(3-methylphenoxy)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-amino-2-[(3-methylphenoxy)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[(3-methylphenoxy)methyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2N

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2N

InChI

InChI=1S/C18H19N3O2S/c1-11-5-4-6-12(9-11)23-10-15-20-17-16(18(22)21(15)19)13-7-2-3-8-14(13)24-17/h4-6,9H,2-3,7-8,10,19H2,1H3