N2-butyl-N4-[(E)-3-methylpent-2-enyl]-6-nitro-quinazoline-2,4-diamine

Systemtic Name: N2-butyl-N4-[(E)-3-methylpent-2-enyl]-6-nitro-quinazoline-2,4-diamine Openeye Name: N2-butyl-N4-[(E)-3-methylpent-2-enyl]-6-nitro-quinazoline-2,4-diamine CAS Name: N2-butyl-N4-[(E)-3-methylpent-2-enyl]-6-nitroquinazoline-2,4-diamine IUPAC Name: 2-N-butyl-4-N-[(E)-3-methylpent-2-enyl]-6-nitroquinazoline-2,4-diamine Traditional Name: butyl-[4-[[(E)-3-methylpent-2-enyl]amino]-6-nitro-quinazolin-2-yl]amine Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC=C(C)CC

Isomeric SMILES

CCCCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NC/C=C(\C)/CC

InChI

InChI=1S/C18H25N5O2/c1-4-6-10-20-18-21-16-8-7-14(23(24)25)12-15(16)17(22-18)19-11-9-13(3)5-2/h7-9,12H,4-6,10-11H2,1-3H3,(H2,19,20,21,22)/b13-9+