N4-(1-adamantylmethyl)-5-nitro-N6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantylmethyl)-5-nitro-N6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantylmethyl)-5-nitro-N6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine CAS Name: N4-(1-adamantylmethyl)-5-nitro-N6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantylmethyl)-5-nitro-6-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine Traditional Name: 1-adamantylmethyl-[5-nitro-6-[(3,4,5-trimethoxybenzyl)amino]pyrimidin-4-yl]amine Formula: C25H33N5O5 MolecularWeight: 483.56002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=C(C(=NC=N2)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=C(C(=NC=N2)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C25H33N5O5/c1-33-19-7-18(8-20(34-2)22(19)35-3)12-26-23-21(30(31)32)24(29-14-28-23)27-13-25-9-15-4-16(10-25)6-17(5-15)11-25/h7-8,14-17H,4-6,9-13H2,1-3H3,(H2,26,27,28,29)