N4-[(3-chloranyl-4-methoxy-phenyl)methyl]-N7,N7-dimethyl-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N4-[(3-chloranyl-4-methoxy-phenyl)methyl]-N7,N7-dimethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[(3-chloro-4-methoxy-phenyl)methyl]-N7,N7-dimethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[(3-chloro-4-methoxyphenyl)methyl]-N7,N7-dimethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[(3-chloro-4-methoxyphenyl)methyl]-7-N,7-N-dimethyl-6-nitroquinazoline-4,7-diamine Traditional Name: [4-[(3-chloro-4-methoxy-benzyl)amino]-6-nitro-quinazolin-7-yl]-dimethyl-amine Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=C(C=C3)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=C(C=C3)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN5O3/c1-23(2)15-8-14-12(7-16(15)24(25)26)18(22-10-21-14)20-9-11-4-5-17(27-3)13(19)6-11/h4-8,10H,9H2,1-3H3,(H,20,21,22)