6-nitro-N4-(phenylmethyl)-N7-propan-2-yl-quinazoline-4,7-diamine

Systemtic Name: 6-nitro-N4-(phenylmethyl)-N7-propan-2-yl-quinazoline-4,7-diamine Openeye Name: N4-benzyl-N7-isopropyl-6-nitro-quinazoline-4,7-diamine CAS Name: 6-nitro-N4-(phenylmethyl)-N7-propan-2-ylquinazoline-4,7-diamine IUPAC Name: 4-N-benzyl-6-nitro-7-N-propan-2-ylquinazoline-4,7-diamine Traditional Name: benzyl-[7-(isopropylamino)-6-nitro-quinazolin-4-yl]amine Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O2/c1-12(2)22-16-9-15-14(8-17(16)23(24)25)18(21-11-20-15)19-10-13-6-4-3-5-7-13/h3-9,11-12,22H,10H2,1-2H3,(H,19,20,21)