[4-[2-azanyl-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]cyclopent-2-en-1-yl]methanol

Systemtic Name: [4-[2-azanyl-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]cyclopent-2-en-1-yl]methanol Openeye Name: [4-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]cyclopent-2-en-1-yl]methanol CAS Name: [4-[2-amino-6-[(4-nitrophenyl)methylthio]-9-purinyl]-1-cyclopent-2-enyl]methanol IUPAC Name: [4-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]cyclopent-2-en-1-yl]methanol Traditional Name: [4-[2-amino-6-[(4-nitrobenzyl)thio]purin-9-yl]cyclopent-2-en-1-yl]methanol Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1N2C=NC3=C2N=C(N=C3SCC4=CC=C(C=C4)[N+](=O)[O-])N)CO

Isomeric SMILES

C1C(C=CC1N2C=NC3=C2N=C(N=C3SCC4=CC=C(C=C4)[N+](=O)[O-])N)CO

InChI

InChI=1S/C18H18N6O3S/c19-18-21-16-15(20-10-23(16)14-6-3-12(7-14)8-25)17(22-18)28-9-11-1-4-13(5-2-11)24(26)27/h1-6,10,12,14,25H,7-9H2,(H2,19,21,22)