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

Systemtic Name: 1-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]benzo[f]chromen-3-one Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NC(=CC(=N4)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C18H14N4O2S/c19-14-8-15(20)22-18(21-14)25-9-11-7-16(23)24-13-6-5-10-3-1-2-4-12(10)17(11)13/h1-8H,9H2,(H4,19,20,21,22)