2-[4-[6-chloranyl-7-[(phenylmethyl)amino]-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-chloranyl-7-[(phenylmethyl)amino]-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-chloro-7-[(phenylmethyl)amino]-4-(1-pyrrolidinyl)-2-pteridinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[7-(benzylamino)-6-chloro-4-pyrrolidino-pteridin-2-yl]piperazino]ethanol Formula: C23H29ClN8O MolecularWeight: 468.98236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)CCO

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)CCO

InChI

InChI=1S/C23H29ClN8O/c24-19-21(25-16-17-6-2-1-3-7-17)27-20-18(26-19)22(31-8-4-5-9-31)29-23(28-20)32-12-10-30(11-13-32)14-15-33/h1-3,6-7,33H,4-5,8-16H2,(H,25,27,28,29)