1-(2-chloroethyl)-3-[4-[(6-sulfanylidene-3H-purin-9-yl)methyl]phenyl]urea

Systemtic Name: 1-(2-chloroethyl)-3-[4-[(6-sulfanylidene-3H-purin-9-yl)methyl]phenyl]urea Openeye Name: 1-(2-chloroethyl)-3-[4-[(6-thioxo-3H-purin-9-yl)methyl]phenyl]urea CAS Name: 1-(2-chloroethyl)-3-[4-[(6-sulfanylidene-3H-purin-9-yl)methyl]phenyl]urea IUPAC Name: 1-(2-chloroethyl)-3-[4-[(6-sulfanylidene-3H-purin-9-yl)methyl]phenyl]urea Traditional Name: 1-(2-chloroethyl)-3-[4-[(6-thioxo-3H-purin-9-yl)methyl]phenyl]urea Formula: C15H15ClN6OS MolecularWeight: 362.8372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=S)NC(=O)NCCCl

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=S)NC(=O)NCCCl

InChI

InChI=1S/C15H15ClN6OS/c16-5-6-17-15(23)21-11-3-1-10(2-4-11)7-22-9-20-12-13(22)18-8-19-14(12)24/h1-4,8-9H,5-7H2,(H2,17,21,23)(H,18,19,24)