[2-[4-[2,6-bis(oxidanylidene)-8-(phenylmethyl)-1-propyl-7H-purin-3-yl]butyl]phenyl] sulfite

Systemtic Name: [2-[4-[2,6-bis(oxidanylidene)-8-(phenylmethyl)-1-propyl-7H-purin-3-yl]butyl]phenyl] sulfite Openeye Name: [2-[4-(8-benzyl-2,6-dioxo-1-propyl-7H-purin-3-yl)butyl]phenyl] sulfite CAS Name: [2-[4-[2,6-dioxo-8-(phenylmethyl)-1-propyl-7H-purin-3-yl]butyl]phenyl] sulfite IUPAC Name: [2-[4-(8-benzyl-2,6-dioxo-1-propyl-7H-purin-3-yl)butyl]phenyl] sulfite Traditional Name: [2-[4-(8-benzyl-2,6-diketo-1-propyl-7H-purin-3-yl)butyl]phenyl] sulfite Formula: C25H27N4O5S- MolecularWeight: 495.57068

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCCCC4=CC=CC=C4OS(=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCCCC4=CC=CC=C4OS(=O)[O-]

InChI

InChI=1S/C25H28N4O5S/c1-2-15-29-24(30)22-23(27-21(26-22)17-18-10-4-3-5-11-18)28(25(29)31)16-9-8-13-19-12-6-7-14-20(19)34-35(32)33/h3-7,10-12,14H,2,8-9,13,15-17H2,1H3,(H,26,27)(H,32,33)/p-1