1-[[6-(3-methylbut-3-enylamino)-2-methylsulfanyl-purin-5-yl]methoxy]pyrimidine-2,4-dione

Systemtic Name: 1-[[6-(3-methylbut-3-enylamino)-2-methylsulfanyl-purin-5-yl]methoxy]pyrimidine-2,4-dione Openeye Name: 1-[[6-(3-methylbut-3-enylamino)-2-methylsulfanyl-purin-5-yl]methoxy]pyrimidine-2,4-dione CAS Name: 1-[[6-(3-methylbut-3-enylamino)-2-(methylthio)-5-purinyl]methoxy]pyrimidine-2,4-dione IUPAC Name: 1-[[6-(3-methylbut-3-enylamino)-2-methylsulfanylpurin-5-yl]methoxy]pyrimidine-2,4-dione Traditional Name: 1-[[6-(3-methylbut-3-enylamino)-2-(methylthio)purin-5-yl]methoxy]pyrimidine-2,4-quinone Formula: C16H19N7O3S MolecularWeight: 389.43216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CCNC1=NC(=NC2=NC=NC21CON3C=CC(=O)NC3=O)SC

Isomeric SMILES

CC(=C)CCNC1=NC(=NC2=NC=NC21CON3C=CC(=O)NC3=O)SC

InChI

InChI=1S/C16H19N7O3S/c1-10(2)4-6-17-12-16(8-26-23-7-5-11(24)20-15(23)25)13(18-9-19-16)22-14(21-12)27-3/h5,7,9H,1,4,6,8H2,2-3H3,(H,20,24,25)(H,17,18,19,21,22)