N-[bis(aziridin-1-yl)phosphoryl]-5-[(4-butoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-amine

Systemtic Name: N-[bis(aziridin-1-yl)phosphoryl]-5-[(4-butoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-amine Openeye Name: N-[bis(aziridin-1-yl)phosphoryl]-5-[(4-butoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-amine CAS Name: N-[bis(1-aziridinyl)phosphoryl]-5-[(4-butoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinamine IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]-5-[(4-butoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-amine Traditional Name: [5-(4-butoxybenzyl)-2,6-dimethyl-pyrimidin-4-yl]-diethyleniminophosphoryl-amine Formula: C21H30N5O2P MolecularWeight: 415.468961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2NP(=O)(N3CC3)N4CC4)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2NP(=O)(N3CC3)N4CC4)C)C

InChI

InChI=1S/C21H30N5O2P/c1-4-5-14-28-19-8-6-18(7-9-19)15-20-16(2)22-17(3)23-21(20)24-29(27,25-10-11-25)26-12-13-26/h6-9H,4-5,10-15H2,1-3H3,(H,22,23,24,27)