N4,N7,N7-triethyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-4,7-diamine

Systemtic Name: N4,N7,N7-triethyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-4,7-diamine Openeye Name: N4,N7,N7-triethyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-4,7-diamine CAS Name: N4,N7,N7-triethyl-2-[(4-nitrophenyl)methylthio]pyrimido[4,5-d]pyrimidine-4,7-diamine IUPAC Name: 4-N,7-N,7-N-triethyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-4,7-diamine Traditional Name: diethyl-[4-(ethylamino)-2-[(4-nitrobenzyl)thio]pyrimido[4,5-d]pyrimidin-7-yl]amine Formula: C19H23N7O2S MolecularWeight: 413.49662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=NC(=NC=C21)N(CC)CC)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NC(=NC2=NC(=NC=C21)N(CC)CC)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N7O2S/c1-4-20-16-15-11-21-18(25(5-2)6-3)22-17(15)24-19(23-16)29-12-13-7-9-14(10-8-13)26(27)28/h7-11H,4-6,12H2,1-3H3,(H,20,21,22,23,24)