8-chloranyl-2-[(pentylamino)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 8-chloranyl-2-[(pentylamino)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 8-chloro-2-[(pentylamino)methyl]-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 8-chloro-2-[(pentylamino)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 8-chloro-2-[(pentylamino)methyl]-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[(amylamino)methyl]-8-chloro-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C16H18ClN3OS MolecularWeight: 335.85162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC1=NC(=O)C2=C(N1)C3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCCCCNCC1=NC(=O)C2=C(N1)C3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C16H18ClN3OS/c1-2-3-4-7-18-9-13-19-14-11-8-10(17)5-6-12(11)22-15(14)16(21)20-13/h5-6,8,18H,2-4,7,9H2,1H3,(H,19,20,21)