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

Systemtic Name: N-[bis(aziridin-1-yl)phosphoryl]-2,6-dimethyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-4-amine Openeye Name: N-[bis(aziridin-1-yl)phosphoryl]-5-[(4-isopropoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-amine CAS Name: N-[bis(1-aziridinyl)phosphoryl]-2,6-dimethyl-5-[(4-propan-2-yloxyphenyl)methyl]-4-pyrimidinamine IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]-2,6-dimethyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-4-amine Traditional Name: diethyleniminophosphoryl-[5-(4-isopropoxybenzyl)-2,6-dimethyl-pyrimidin-4-yl]amine Formula: C20H28N5O2P MolecularWeight: 401.442381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)NP(=O)(N2CC2)N3CC3)CC4=CC=C(C=C4)OC(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)NP(=O)(N2CC2)N3CC3)CC4=CC=C(C=C4)OC(C)C

InChI

InChI=1S/C20H28N5O2P/c1-14(2)27-18-7-5-17(6-8-18)13-19-15(3)21-16(4)22-20(19)23-28(26,24-9-10-24)25-11-12-25/h5-8,14H,9-13H2,1-4H3,(H,21,22,23,26)