[4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholino-methanone CAS Name: [4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone Traditional Name: [4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]phenyl]-morpholino-methanone Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1COCCN1C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H19N5O2S/c17-13-9-14(18)20-16(19-13)24-10-11-1-3-12(4-2-11)15(22)21-5-7-23-8-6-21/h1-4,9H,5-8,10H2,(H4,17,18,19,20)