4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=CC(=N3)N)N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=CC(=N3)N)N)C(C)C

InChI

InChI=1S/C18H20N4O2S/c1-9(2)12-6-13-11(5-17(23)24-14(13)4-10(12)3)8-25-18-21-15(19)7-16(20)22-18/h4-7,9H,8H2,1-3H3,(H4,19,20,21,22)