6-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-amine

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-amine Openeye Name: 6-(1,3-benzodioxol-5-yl)-N-benzyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-amine CAS Name: 6-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinamine IUPAC Name: 6-(1,3-benzodioxol-5-yl)-N-benzyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine Traditional Name: [6-(1,3-benzodioxol-5-yl)-2-piperazino-4-pyrrolidino-pteridin-7-yl]-benzyl-amine Formula: C28H30N8O2 MolecularWeight: 510.5902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)N7CCNCC7

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)N7CCNCC7

InChI

InChI=1S/C28H30N8O2/c1-2-6-19(7-3-1)17-30-25-23(20-8-9-21-22(16-20)38-18-37-21)31-24-26(32-25)33-28(36-14-10-29-11-15-36)34-27(24)35-12-4-5-13-35/h1-3,6-9,16,29H,4-5,10-15,17-18H2,(H,30,32,33,34)