N7-ethyl-6-nitro-N4-(phenylmethyl)quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-6-nitro-N4-(phenylmethyl)quinazoline-4,7-diamine Openeye Name: N4-benzyl-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-(phenylmethyl)quinazoline-4,7-diamine IUPAC Name: 4-N-benzyl-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: benzyl-[7-(ethylamino)-6-nitro-quinazolin-4-yl]amine Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O2/c1-2-18-15-9-14-13(8-16(15)22(23)24)17(21-11-20-14)19-10-12-6-4-3-5-7-12/h3-9,11,18H,2,10H2,1H3,(H,19,20,21)