N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methylpropyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methylpropyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-acetamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-(2-methylpropyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-acetamide Formula: C19H29N7O3S2 MolecularWeight: 467.60866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=NN=C(S2)NCC=C)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CSC2=NN=C(S2)NCC=C)N

InChI

InChI=1S/C19H29N7O3S2/c1-6-7-21-17-23-24-19(31-17)30-10-13(27)25(8-11(2)3)14-15(20)26(9-12(4)5)18(29)22-16(14)28/h6,11-12H,1,7-10,20H2,2-5H3,(H,21,23)(H,22,28,29)