1-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4-amino-6-methyl-2-pyrimidinyl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(4-amino-6-methyl-pyrimidin-2-yl)thio]methyl]benzo[f]chromen-3-one Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)N

InChI

InChI=1S/C19H15N3O2S/c1-11-8-16(20)22-19(21-11)25-10-13-9-17(23)24-15-7-6-12-4-2-3-5-14(12)18(13)15/h2-9H,10H2,1H3,(H2,20,21,22)