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

Systemtic Name: 1-(2-chloroethyl)-1-nitroso-3-[4-[(6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]urea Openeye Name: 1-(2-chloroethyl)-1-nitroso-3-[4-[(6-oxo-3H-purin-9-yl)methyl]phenyl]urea CAS Name: 1-(2-chloroethyl)-1-nitroso-3-[4-[(6-oxo-3H-purin-9-yl)methyl]phenyl]urea IUPAC Name: 1-(2-chloroethyl)-1-nitroso-3-[4-[(6-oxo-3H-purin-9-yl)methyl]phenyl]urea Traditional Name: 1-(2-chloroethyl)-3-[4-[(6-keto-3H-purin-9-yl)methyl]phenyl]-1-nitroso-urea Formula: C15H14ClN7O3 MolecularWeight: 375.76976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=O)NC(=O)N(CCCl)N=O

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=O)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C15H14ClN7O3/c16-5-6-23(21-26)15(25)20-11-3-1-10(2-4-11)7-22-9-19-12-13(22)17-8-18-14(12)24/h1-4,8-9H,5-7H2,(H,20,25)(H,17,18,24)