N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-N-[(Z)-3-[(E)-6-methyl-3-oxidanylidene-hept-1-enyl]sulfanyl-5-oxidanyl-pent-2-en-2-yl]methanamide

Systemtic Name: N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-N-[(Z)-3-[(E)-6-methyl-3-oxidanylidene-hept-1-enyl]sulfanyl-5-oxidanyl-pent-2-en-2-yl]methanamide Openeye Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[(Z)-4-hydroxy-1-methyl-2-[(E)-6-methyl-3-oxo-hept-1-enyl]sulfanyl-but-1-enyl]formamide CAS Name: N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[(Z)-5-hydroxy-3-[[(E)-6-methyl-3-oxohept-1-enyl]thio]pent-2-en-2-yl]formamide IUPAC Name: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-[(E)-6-methyl-3-oxohept-1-enyl]sulfanylpent-2-en-2-yl]formamide Traditional Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[(Z)-4-hydroxy-2-[[(E)-3-keto-6-methyl-hept-1-enyl]thio]-1-methyl-but-1-enyl]formamide Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SC=CC(=O)CCC(C)C)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCO)\S/C=C/C(=O)CCC(C)C)/C

InChI

InChI=1S/C20H30N4O3S/c1-14(2)5-6-18(27)8-10-28-19(7-9-25)15(3)24(13-26)12-17-11-22-16(4)23-20(17)21/h8,10-11,13-14,25H,5-7,9,12H2,1-4H3,(H2,21,22,23)/b10-8+,19-15-