N4-[(E)-(10-butylphenothiazin-3-yl)methylideneamino]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[(E)-(10-butylphenothiazin-3-yl)methylideneamino]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(E)-(10-butylphenothiazin-3-yl)methyleneamino]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(E)-(10-butyl-3-phenothiazinyl)methylideneamino]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(E)-(10-butylphenothiazin-3-yl)methylideneamino]-5-nitropyrimidine-2,4-diamine Traditional Name: (2-amino-5-nitro-pyrimidin-4-yl)-[(E)-(10-butylphenothiazin-3-yl)methyleneamino]amine Formula: C21H21N7O2S MolecularWeight: 435.50214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C=NNC3=NC(=NC=C3[N+](=O)[O-])N)SC4=CC=CC=C41

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)/C=N/NC3=NC(=NC=C3[N+](=O)[O-])N)SC4=CC=CC=C41

InChI

InChI=1S/C21H21N7O2S/c1-2-3-10-27-15-6-4-5-7-18(15)31-19-11-14(8-9-16(19)27)12-24-26-20-17(28(29)30)13-23-21(22)25-20/h4-9,11-13H,2-3,10H2,1H3,(H3,22,23,25,26)/b24-12+