4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(4,6-diamino-1,3,5-triazin-2-yl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(4,6-diamino-s-triazin-2-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2S/c1-8(2)11-6-12-10(5-14(23)24-13(12)4-9(11)3)7-25-17-21-15(18)20-16(19)22-17/h4-6,8H,7H2,1-3H3,(H4,18,19,20,21,22)