2-azanyl-6-[2-[3-[5-(hydroxymethyl)thiophen-2-yl]phenyl]ethyl]-3-methyl-pyrimidin-4-one

Systemtic Name: 2-azanyl-6-[2-[3-[5-(hydroxymethyl)thiophen-2-yl]phenyl]ethyl]-3-methyl-pyrimidin-4-one Openeye Name: 2-amino-6-[2-[3-[5-(hydroxymethyl)-2-thienyl]phenyl]ethyl]-3-methyl-pyrimidin-4-one CAS Name: 2-amino-6-[2-[3-[5-(hydroxymethyl)-2-thiophenyl]phenyl]ethyl]-3-methyl-4-pyrimidinone IUPAC Name: 2-amino-6-[2-[3-[5-(hydroxymethyl)thiophen-2-yl]phenyl]ethyl]-3-methylpyrimidin-4-one Traditional Name: 2-amino-3-methyl-6-[2-[3-(5-methylol-2-thienyl)phenyl]ethyl]pyrimidin-4-one Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N)CCC2=CC=CC(=C2)C3=CC=C(S3)CO

Isomeric SMILES

CN1C(=O)C=C(N=C1N)CCC2=CC=CC(=C2)C3=CC=C(S3)CO

InChI

InChI=1S/C18H19N3O2S/c1-21-17(23)10-14(20-18(21)19)6-5-12-3-2-4-13(9-12)16-8-7-15(11-22)24-16/h2-4,7-10,22H,5-6,11H2,1H3,(H2,19,20)