2-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-3-[2,6-bis(chloranyl)phenyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-3-[2,6-bis(chloranyl)phenyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-3-(2,6-dichlorophenyl)-4aH-quinazolin-3-ium-4-one CAS Name: 2-[[(6-amino-7H-purin-8-yl)thio]methyl]-3-(2,6-dichlorophenyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-3-(2,6-dichlorophenyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 2-[[(6-amino-7H-purin-8-yl)thio]methyl]-3-(2,6-dichlorophenyl)-4aH-quinazolin-3-ium-4-one Formula: C20H14Cl2N7OS+ MolecularWeight: 471.34246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=[N+](C2=O)C3=C(C=CC=C3Cl)Cl)CSC4=NC5=C(N4)C(=NC=N5)N)C=C1

Isomeric SMILES

C1=CC2C(=NC(=[N+](C2=O)C3=C(C=CC=C3Cl)Cl)CSC4=NC5=C(N4)C(=NC=N5)N)C=C1

InChI

InChI=1S/C20H14Cl2N7OS/c21-11-5-3-6-12(22)16(11)29-14(26-13-7-2-1-4-10(13)19(29)30)8-31-20-27-15-17(23)24-9-25-18(15)28-20/h1-7,9-10H,8H2,(H3,23,24,25,27,28)/q+1