3-[2-[[1-(phenylsulfonyl)pyrrol-2-yl]methylamino]propyl]-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-[2-[[1-(phenylsulfonyl)pyrrol-2-yl]methylamino]propyl]-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[2-[[1-(benzenesulfonyl)pyrrol-2-yl]methylamino]propyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[2-[[1-(benzenesulfonyl)-2-pyrrolyl]methylamino]propyl]-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[2-[[1-(benzenesulfonyl)pyrrol-2-yl]methylamino]propyl]-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-[2-[(1-besylpyrrol-2-yl)methylamino]propyl]-2-thioxo-7H-purin-6-one Formula: C19H20N6O3S2 MolecularWeight: 444.5305

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C(=O)NC1=S)NC=N2)NCC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(CN1C2=C(C(=O)NC1=S)NC=N2)NCC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H20N6O3S2/c1-13(11-24-17-16(21-12-22-17)18(26)23-19(24)29)20-10-14-6-5-9-25(14)30(27,28)15-7-3-2-4-8-15/h2-9,12-13,20H,10-11H2,1H3,(H,21,22)(H,23,26,29)